PCIDB

KNApSAcK Metabolite C00048578

Metabolite

KNApSAcK Entry

id C00048578
Name 17-Dehydroxyholothurinoside A / (-)-17-Dehydroxyholothurinoside A
CAS RN 1021154-33-5
Standard InChI InChI=1S/C60H96O28/c1-23-45(84-52-44(74)47(37(67)28(21-63)81-52)85-51-43(73)46(76-9)36(66)27(20-62)80-51)40(70)42(72)49(78-23)86-48-38(68)29(82-50-41(71)39(69)35(65)26(19-61)79-50)22-77-53(48)83-33-14-16-57(6)25-18-32(64)60-31(59(8,88-54(60)75)34-13-15-55(2,3)87-34)12-17-58(60,7)24(25)10-11-30(57)56(33,4)5/h18,23-24,26-53,61-74H,10-17,19-22H2,1-9H3/t23-,24-,26-,27-,28-,29?,30+,31?,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53+,57-,58+,59-,60+/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H96O28/c1-23-45(84-52-44(74)47(37(67)28(21-63)81-52)85-51-43(73)46(76-9)36(66)27(20-62)80-51)40(70)42(72)49(78-23)86-48-38(68)29(82-50-41(71)39(69)35(65)26(19-61)79-50)22-77-53(48)83-33-14-16-57(6)25-18-32(64)60-31(59(8,88-54(60)75)34-13-15-55(2,3)87-34)12-17-58(60,7)24(25)10-11-30(57)56(33,4)5/h18,23-24,26-53,61-74H,10-17,19-22H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 72

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Holothuriidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Holothuria grisea 481843 Holothuriidae Metazoa